N-cyclohexylcyclohexanimine

C12H21N — CID 566644

IUPACN-cyclohexylcyclohexanimine
SMILESC1CCC(=NC2CCCCC2)CC1
InChIInChI=1S/C12H21N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,1-10H2
InChIKeyQAFRYXRYDOBFEF-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.72
Rot. Bonds1

About N-cyclohexylcyclohexanimine

N-cyclohexylcyclohexanimine (PubChem CID 566644) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-cyclohexylcyclohexanimine.

Molecular Properties

Compound NameN-cyclohexylcyclohexanimine
PubChem CID566644
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-cyclohexylcyclohexanimine
SMILESC1CCC(=NC2CCCCC2)CC1
InChIInChI=1S/C12H21N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,1-10H2
InChIKeyQAFRYXRYDOBFEF-UHFFFAOYSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanimine?
The IUPAC name of N-cyclohexylcyclohexanimine (CID 566644) is N-cyclohexylcyclohexanimine.
What is the SMILES notation for N-cyclohexylcyclohexanimine?
The canonical SMILES for N-cyclohexylcyclohexanimine is C1CCC(=NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexylcyclohexanimine?
The InChIKey is QAFRYXRYDOBFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,1-10H2.
What are the key properties of N-cyclohexylcyclohexanimine?
N-cyclohexylcyclohexanimine has a molecular weight of 179.31 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanimine is sourced from PubChem (CID 566644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).